52934-06-2 Purity
99%, 99.9%, 99.99%, 99.999%
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Specification
The molecular formula is C34H74O14Si8.
The molecular weight is 931.6 g/mol.
The IUPAC name is 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-[3-(oxiran-2-ylmethoxy)propyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.
The InChI is InChI=1S/C34H74O14Si8/c1-27(2)20-50-37-49(17-15-16-35-18-34-19-36-34)38-51(21-28(3)4)42-53(40-50,23-30(7)8)46-56(26-33(13)14)47-54(41-50,24-31(9)10)43-52(39-49,22-29(5)6)45-55(44-51,48-56)25-32(11)12/h27-34H,15-26H2,1-14H3.
The Canonical SMILES is CC(C)C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCCOCC6CO6.
The CAS number is 444315-17-7.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 14.
The rotatable bond count is 20.
Yes, Pss-(3-glycidyl)propoxy-heptaisobutyl s& is canonicalized.